PubChemLite - 5app-d-lyscar-l-lyscar (C21H44N6O6)

Structural Information

Molecular Formula

SMILES

C(CCN)CCNCC(=O)N[C@H](CCCCN)COC(=O)N[C@@H](CCCCN)COC(=O)O

InChI

InChI=1S/C21H44N6O6/c22-10-4-1-7-13-25-14-19(28)26-17(8-2-5-11-23)15-32-20(29)27-18(9-3-6-12-24)16-33-21(30)31/h17-18,25H,1-16,22-24H2,(H,26,28)(H,27,29)(H,30,31)/t17-,18+/m1/s1

InChIKey

GMZOYSDXGMZMMK-MSOLQXFVSA-N

Compound name

[(2S)-6-amino-2-[[(2R)-6-amino-2-[[2-(5-aminopentylamino)acetyl]amino]hexoxy]carbonylamino]hexyl] hydrogen carbonate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	477.33952	225.1
[M+Na]+	499.32146	238.2
[M-H]-	475.32496	232.2
[M+NH4]+	494.36606	222.7
[M+K]+	515.29540	227.8
[M+H-H2O]+	459.32950	220.6
[M+HCOO]-	521.33044	214.6
[M+CH3COO]-	535.34609	251.3
[M+Na-2H]-	497.30691	213.8
[M]+	476.33169	207.8
[M]-	476.33279	207.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.33952

225.1

[M+Na]+

499.32146

238.2

[M-H]-

475.32496

232.2

[M+NH4]+

494.36606

222.7

[M+K]+

515.29540

227.8

[M+H-H2O]+

459.32950

220.6

[M+HCOO]-

521.33044

214.6

[M+CH3COO]-

535.34609

251.3

[M+Na-2H]-

497.30691

213.8

[M]+

476.33169

207.8

[M]-

476.33279

207.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5app-d-lyscar-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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